Lv51
1028 积分 2025-09-29 加入
Unlocking molecular optimization potential by leveraging active learning for scaffold-preserving optimization with ALMO
3小时前
求助中
DeepDegradome: A structure-aware deep learning framework for PROTAC and ligand generation against protein targets
1个月前
已完结
Image-based generation for molecule design with SketchMol
4个月前
已完结
Generating 3D small binding molecules using shape-conditioned diffusion models with guidance
4个月前
已完结
A deep learning approach for rational ligand generation with toxicity control via reactive building blocks
4个月前
已完结
Pharmacophore-oriented 3D molecular generation toward efficient feature-customized drug discovery
4个月前
已完结
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
4个月前
已完结
Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein
5个月前
已完结
SynGFN: learning across chemical space with generative flow-based molecular discovery
6个月前
已完结
Electron-density informed effective and reliable de novo molecular design and lead optimization with ED2Mol
6个月前
已完结
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